TeAsS
Alexandria ALEXAlex-ID: agm003607289 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7824_spg12
AsS Te
2022-03-02 15:36:33.809551
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003607289).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003607289
data_agm003607289
_cell_length_a 3.23871
_cell_length_b 6.22886
_cell_length_c 10.04417
_cell_angle_alpha 103.99159
_cell_angle_beta 99.27792
_cell_angle_gamma 90.00000
_cell_volume 193.88096
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Te1 Te 0.54698 0.77780 0.09396 1.00000
Te2 Te 0.45302 0.22220 0.90604 1.00000
As1 As 0.66982 0.66357 0.33963 1.00000
As2 As 0.33018 0.33643 0.66037 1.00000
S1 S 0.15149 0.39859 0.30299 1.00000
S2 S 0.84851 0.60141 0.69701 1.00000
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